SMILES → Mass Calculator

Type or paste a SMILES and everything — formula, monoisotopic / average mass, adduct m/z, and the M / M+1 / M+2 isotope envelope — updates automatically. Everything runs in your browser.  ← all apps

SMILES

Structure

Mass

Monoisotopic
Average

Adducts  

Ionm/zz

Isotope envelope (neutral)

Peakm/z (mono)Rel. abundance
“M+1” / “M+2” here are the isotopologue peaks (¹³C, ³⁴S, ³⁷Cl …), normalized to the base peak = 100%. For the protonated/sodiated ion masses see the Adducts table above.